CID 3024615

96719-50-5

Structural Information

Molecular Formula
C22H22N2O
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC=CC=C4N
InChI
InChI=1S/C22H22N2O/c1-25-18-11-12-19-16(15-18)13-14-24(17-7-3-2-4-8-17)22(19)20-9-5-6-10-21(20)23/h2-12,15,22H,13-14,23H2,1H3
InChIKey
AKELMUVAOCPJQX-UHFFFAOYSA-N
Compound name
2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17322 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18050 180.7
[M+Na]+ 353.16244 187.1
[M-H]- 329.16594 188.8
[M+NH4]+ 348.20704 193.1
[M+K]+ 369.13638 180.4
[M+H-H2O]+ 313.17048 169.8
[M+HCOO]- 375.17142 199.5
[M+CH3COO]- 389.18707 190.4
[M+Na-2H]- 351.14789 184.4
[M]+ 330.17267 177.3
[M]- 330.17377 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.